Information card for entry 1554135

Structure parameters

• Formula: C28 H14 Br2 N4
• Calculated formula: C28 H14 Br2 N4
• SMILES: c1cc2cccc3c2c(c1)c1cccc2cccc3c12.N(=C1C=C(Br)C(=NC#N)C=C1Br)C#N
• Title of publication: Ambipolar Transistor Properties of Charge-Transfer Complexes Containing Perylene and Dicyanoquinonediimines
• Authors of publication: Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2019
• Journal volume: 123
• Journal issue: 19
• Pages of publication: 12088
• a: 7.41651 ± 0.00013 Å
• b: 8.17089 ± 0.00015 Å
• c: 9.87887 ± 0.00018 Å
• α: 68.2777 ± 0.0007°
• β: 78.4778 ± 0.0007°
• γ: 88.3362 ± 0.0007°
• Cell volume: 544.272 ± 0.017 ų
• Cell temperature: 271 K
• Ambient diffraction temperature: 271 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No